SCHEMBL7600944

SCHEMBL7600944

CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CCc2cccc(C(=N)N)c2)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.49
PRSS1 P07477 4/20 0.49
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
F2 P00734 4/20 0.43
GSTO1 P78417 1/20 0.43
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TMPRSS6 Q8IU80 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL7113085 0.90 F10 (0.56) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7598687 0.85 PRSS1 (0.58) F10PRSS1F2PRSS2PRSS3
SCHEMBL6303962 0.81 F10 (0.60) F10PRSS1F2PRSS2PRSS3
SCHEMBL7450111 0.79 F10 (0.72) F10PRSS1F2PRSS2PRSS3
SCHEMBL6296864 0.79 ALDH1A1 (0.45) ALDH1A1HPGDGSTO1GAAMAPT
SCHEMBL7599290 0.79 F10 (0.60) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7120279 0.78 F10 (0.67) F10PRSS1F2PRSS2PRSS3
SCHEMBL7086229 0.77 KMT2A (0.55) ALDH1A1GAAMAPT
SCHEMBL6303566 0.75 F10 (0.58) F10PRSS1F2PRSS2PRSS3
SCHEMBL7059244 0.75 PRSS1 (0.51) F10PRSS1F2PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257530-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-20 EP disclosed
WO-2001062717-A1 AMINOSULFONYLBIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-08-30 WO disclosed